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CAS 1408058-12-7 4-Methoxy-2-(trifluoroMethyl)benzaMidine hydrochloride molecular structure lightbox
CAS RN: 1408058-12-7

4-Methoxy-2-(trifluoroMethyl)benzaMidine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-051297
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1408058-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry

1408058-12-7 / 4-methoxy-2-(trifluoromethyl)benzenecarboximidamide;hydrochloride

Standard CAS: 1408058-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1408058-12-7
Multi CAS
No
Molecular Formula
C9H10ClF3N2O
Molecular Weight
254.630000
Exact Mass
254.043375
SMILES
COC1=CC(=C(C=C1)C(=N)N)C(F)(F)F.Cl
InChI
InChI=1S/C9H9F3N2O.ClH/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12;/h2-4H,1H3,(H3,13,14);1H
InChIKey
MKKANNUUIQNCIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.26
TPSA
59.1

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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